Information card for entry 2234926

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(acetato-κ^2^<i>O</i>,<i>O</i>')aquacadmium]-μ- [(pyridin-3-yl)(pyridin-4-yl)methanone]-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Formula: C15 H20 Cd N2 O8
• Calculated formula: C15 H20 Cd N2 O8
• SMILES: [Cd]12([n]3cccc(c3)C(=O)c3ccncc3)([O]=C(O2)C)([O]=C(O1)C)([OH2])[n]1ccc(C(=O)c2ccc[n]([Cd]34([O]=C(O4)C)([O]=C(O3)C)[OH2])c2)cc1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[bis(acetato-κ^2^<i>O</i>,<i>O</i>')aquacadmium]-μ-[(pyridin-3-yl)(pyridin-4-yl)methanone]-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Authors of publication: Wang, Zhi-Wei; Li, Ai-Min; Zhang, Ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m723
• a: 8.545 ± 0.002 Å
• b: 10.699 ± 0.003 Å
• c: 11.215 ± 0.003 Å
• α: 76.903 ± 0.005°
• β: 87.833 ± 0.005°
• γ: 77.16 ± 0.005°
• Cell volume: 973.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes